› 6c79

X-ray diffraction
1.1Å resolution

Conformational Changes in a Class A Beta lactamase that Prime it for Catalysis

Released:
DOI: 10.2210/pdb6c79/pdb
PDB entry 6c79 coloured by chain, front view.
PDB entry 6c79 coloured by chain, side view.
PDB entry 6c79 coloured by chain, top view.
Source organism: Escherichia coli
Primary publication:
Substrate Binding Induces Conformational Changes in a Class A Beta-lactamase That Prime It for Catalysis
Langan PS, Vandavasi VG, Cooper SJ, Weiss KL, Ginell SL, Parks JM, Coates L
ACS Catalysis 8 2428-2437 (2018)

Function and Biology Details

Reaction catalysed: 
A beta-lactam + H(2)O = a substituted beta-amino acid
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-175211 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Beta-lactamase Toho-1 Chain: A
Molecule details ›
Chain: A
Length: 261 amino acids
Theoretical weight: 28.05 KDa
Source organism: Escherichia coli
Expression system: Escherichia coli
UniProt:
  • Canonical: Q47066 (Residues: 32-291; Coverage: 99%)
Gene name: bla
Sequence domains:
Structure domains: DD-peptidase/beta-lactamase superfamily

Ligands and Environments

2 bound ligands:
Ligand CE3 1 x CE3
Ligand SO4 4 x SO4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 19-ID
Spacegroup: P3221
Unit cell:
a: 72.72Å b: 72.72Å c: 98.944Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.144 0.144 0.164
Expression system: Escherichia coli

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